Compound Detail
CHEMBL2017991
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Basic Information
| ChEMBL ID | CHEMBL2017991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLHRGTULSYCQDE-QRPNPIFTSA-N |
| Parent Compound | CHEMBL2021727 |
| Active Moiety | CHEMBL2021727 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.8
MW (Da)
0.90
ALogP
5
HBA
3
HBD
106.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Blockade of human ENaC expressed in HBE cells by short-circuit current assay | 22425452 |
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Blockade of guinea pig ENaC expressed in FRT cells by short-circuit current assa... | 22425452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22425452 | 10.1016/j.bmcl.2012.02.067 | Unchecked | 3 |
| 22425452 | 10.1016/j.bmcl.2012.02.067 | Cavia porcellus | 2 |
Data from ChEMBL 36 via Core Engine